Molecule

ID:67872

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrIN
Molecular Mass
283.89249
Exact Mass
282.8493591
Charge
0
InChI
InChI=1S/C5H3BrIN/c6-5-3-4(7)1-2-8-5/h1-3H
InChIKey
HPKRNLGLZYOVJS-UHFFFAOYSA-N
Canonic Smiles
Ic1ccnc(c1)Br
Isomeric Smiles
c1(cc(ccn1)I)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6587892
LogD (pH = 7.4)
2.6587925
Log P
2.6587925
Molar Refractivity
45.7286
Polarizability
17.862892
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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